(5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C19H25N5O — CID 100664502

IUPAC(5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)C[C@H](C(=O)NCc1cccnc1N1CCCC1)CC2
InChIInChI=1S/C19H25N5O/c1-13-22-16-7-6-14(11-17(16)23-13)19(25)21-12-15-5-4-8-20-18(15)24-9-2-3-10-24/h4-5,8,14H,2-3,6-7,9-12H2,1H3,(H,21,25)(H,22,23)/t14-/m1/s1
InChIKeyWAUMGUUQUVHMKB-CQSZACIVSA-N
MW339.44 g/mol
LogP2.13
Rot. Bonds4

About (5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 100664502) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID100664502
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)C[C@H](C(=O)NCc1cccnc1N1CCCC1)CC2
InChIInChI=1S/C19H25N5O/c1-13-22-16-7-6-14(11-17(16)23-13)19(25)21-12-15-5-4-8-20-18(15)24-9-2-3-10-24/h4-5,8,14H,2-3,6-7,9-12H2,1H3,(H,21,25)(H,22,23)/t14-/m1/s1
InChIKeyWAUMGUUQUVHMKB-CQSZACIVSA-N
XLogP2.13
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640382
N-[(2-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640377
2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628463
N-[(3-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640514
(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664804
2-methyl-N-(4-phenylbutan-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640388
2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640337
(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663453
2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640625
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628447
2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640645
(5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663312

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 100664502) is (5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)C[C@H](C(=O)NCc1cccnc1N1CCCC1)CC2.
What is the InChIKey of (5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is WAUMGUUQUVHMKB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-22-16-7-6-14(11-17(16)23-13)19(25)21-12-15-5-4-8-20-18(15)24-9-2-3-10-24/h4-5,8,14H,2-3,6-7,9-12H2,1H3,(H,21,25)(H,22,23)/t14-/m1/s1.
What are the key properties of (5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100664502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).