N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide

C19H25N5O3 — CID 95215210

IUPACN-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(C(=O)[C@@H]2CCCO2)CC1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5O3/c25-17(22-19-20-14-5-1-2-6-15(14)21-19)13-23-8-4-9-24(11-10-23)18(26)16-7-3-12-27-16/h1-2,5-6,16H,3-4,7-13H2,(H2,20,21,22,25)/t16-/m0/s1
InChIKeyJRDMAGMKEDOXRM-INIZCTEOSA-N
MW371.44 g/mol
LogP1.21
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide

N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 95215210) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide
PubChem CID95215210
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(C(=O)[C@@H]2CCCO2)CC1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5O3/c25-17(22-19-20-14-5-1-2-6-15(14)21-19)13-23-8-4-9-24(11-10-23)18(26)16-7-3-12-27-16/h1-2,5-6,16H,3-4,7-13H2,(H2,20,21,22,25)/t16-/m0/s1
InChIKeyJRDMAGMKEDOXRM-INIZCTEOSA-N
XLogP1.21
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22197271
N-(4-bromophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464785
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45236535
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
CID 42196348
N-(3-acetylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197270
N-[(2-methoxyphenyl)methyl]-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 50973366
N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 40952888
N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464827
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 24594059
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9237767
oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone
CID 138385577

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide (CID 95215210) is N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide is O=C(CN1CCCN(C(=O)[C@@H]2CCCO2)CC1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is JRDMAGMKEDOXRM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-17(22-19-20-14-5-1-2-6-15(14)21-19)13-23-8-4-9-24(11-10-23)18(26)16-7-3-12-27-16/h1-2,5-6,16H,3-4,7-13H2,(H2,20,21,22,25)/t16-/m0/s1.
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide?
N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 95215210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).