N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine

C17H24N4O — CID 125135997

IUPACN-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NC3CCN(C[C@H]4CCOC4)CC3)nc2c1
InChIInChI=1S/C17H24N4O/c1-2-4-16-15(3-1)19-17(20-16)18-14-5-8-21(9-6-14)11-13-7-10-22-12-13/h1-4,13-14H,5-12H2,(H2,18,19,20)/t13-/m1/s1
InChIKeyVTZUFFAEKRBFII-CYBMUJFWSA-N
MW300.41 g/mol
LogP2.48
Rot. Bonds4

About N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine

N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine (PubChem CID 125135997) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
PubChem CID125135997
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NC3CCN(C[C@H]4CCOC4)CC3)nc2c1
InChIInChI=1S/C17H24N4O/c1-2-4-16-15(3-1)19-17(20-16)18-14-5-8-21(9-6-14)11-13-7-10-22-12-13/h1-4,13-14H,5-12H2,(H2,18,19,20)/t13-/m1/s1
InChIKeyVTZUFFAEKRBFII-CYBMUJFWSA-N
XLogP2.48
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630
N-(2-nitrophenyl)-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 133305220
2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133305271
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133305265
6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 133305195
4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 171358976
6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
CID 171359747
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906747
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine (CID 125135997) is N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine is c1ccc2[nH]c(NC3CCN(C[C@H]4CCOC4)CC3)nc2c1.
What is the InChIKey of N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine?
The InChIKey is VTZUFFAEKRBFII-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-4-16-15(3-1)19-17(20-16)18-14-5-8-21(9-6-14)11-13-7-10-22-12-13/h1-4,13-14H,5-12H2,(H2,18,19,20)/t13-/m1/s1.
What are the key properties of N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine?
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 125135997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).