(3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine

C19H21ClFN5 — CID 155619701

IUPAC(3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine
SMILESCc1ccc2nc(N3CC[C@@H](F)[C@H](N)C3)n(Cc3ccc(Cl)cn3)c2c1
InChIInChI=1S/C19H21ClFN5/c1-12-2-5-17-18(8-12)26(10-14-4-3-13(20)9-23-14)19(24-17)25-7-6-15(21)16(22)11-25/h2-5,8-9,15-16H,6-7,10-11,22H2,1H3/t15-,16-/m1/s1
InChIKeyDICGWSDVOYBRBW-HZPDHXFCSA-N
MW373.86 g/mol
LogP3.32
Rot. Bonds3

About (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine

(3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine (PubChem CID 155619701) has the molecular formula C19H21ClFN5 and a molecular weight of 373.86 g/mol. Its IUPAC name is (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine
PubChem CID155619701
Molecular FormulaC19H21ClFN5
Molecular Weight373.86 g/mol
Exact Mass373.15
IUPAC Name(3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine
SMILESCc1ccc2nc(N3CC[C@@H](F)[C@H](N)C3)n(Cc3ccc(Cl)cn3)c2c1
InChIInChI=1S/C19H21ClFN5/c1-12-2-5-17-18(8-12)26(10-14-4-3-13(20)9-23-14)19(24-17)25-7-6-15(21)16(22)11-25/h2-5,8-9,15-16H,6-7,10-11,22H2,1H3/t15-,16-/m1/s1
InChIKeyDICGWSDVOYBRBW-HZPDHXFCSA-N
XLogP3.32
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine with MolForge

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Related Compounds

(3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-5-fluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 162390756
(3R,4R)-4-fluoro-1-[6-isocyano-1-[(5-isocyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidin-3-amine
CID 155619544
(3R)-1-[1-[(5-chloropyrimidin-2-yl)methyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 175561709
6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-5-chloro-6-(trifluoromethyl)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 154635700
6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 138562492
2-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-6-chlorobenzimidazol-1-yl]methyl]benzonitrile
CID 175959377
(3R,4S)-1-[4,6-dichloro-1-[(5-isocyano-2-pyridinyl)methyl]benzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 155619704
(3R)-1-[5,6-difluoro-1-[(5-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 175485582
tert-butyl N-[(3R,4R)-4-fluoro-1-[1-[(5-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]piperidin-3-yl]carbamate;(3R,4R)-4-fluoro-1-[1-[(5-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]piperidin-3-amine;methane
CID 160816795
(3R,4S)-4-fluoro-1-[1-[(5-isocyano-2-pyridinyl)methyl]-5-methoxybenzimidazol-2-yl]piperidin-3-amine
CID 155619648
(4R)-4-fluoro-1-[5-isocyano-1-[(5-methylpyrimidin-2-yl)methyl]benzimidazol-2-yl]piperidin-3-amine
CID 158151673
(3R,4R)-1-[5-chloro-1-[1-(5-chloro-2-pyridinyl)ethyl]benzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 155142874

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine?
The IUPAC name of (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine (CID 155619701) is (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine.
What is the SMILES notation for (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine?
The canonical SMILES for (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine is Cc1ccc2nc(N3CC[C@@H](F)[C@H](N)C3)n(Cc3ccc(Cl)cn3)c2c1.
What is the InChIKey of (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine?
The InChIKey is DICGWSDVOYBRBW-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H21ClFN5/c1-12-2-5-17-18(8-12)26(10-14-4-3-13(20)9-23-14)19(24-17)25-7-6-15(21)16(22)11-25/h2-5,8-9,15-16H,6-7,10-11,22H2,1H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine?
(3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine has a molecular weight of 373.86 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine is sourced from PubChem (CID 155619701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).