trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide

C18H17N3O — CID 40820911

IUPACtrans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17N3O/c1-11-10-14(11)18(22)19-13-8-6-12(7-9-13)17-20-15-4-2-3-5-16(15)21-17/h2-9,11,14H,10H2,1H3,(H,19,22)(H,20,21)/t11-,14-/m0/s1
InChIKeyPIPFBDBHSVCKBB-FZMZJTMJSA-N
MW291.35 g/mol
LogP3.82
Rot. Bonds3

About trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 40820911) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID40820911
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Nametrans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17N3O/c1-11-10-14(11)18(22)19-13-8-6-12(7-9-13)17-20-15-4-2-3-5-16(15)21-17/h2-9,11,14H,10H2,1H3,(H,19,22)(H,20,21)/t11-,14-/m0/s1
InChIKeyPIPFBDBHSVCKBB-FZMZJTMJSA-N
XLogP3.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 40820911) is trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is PIPFBDBHSVCKBB-FZMZJTMJSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-10-14(11)18(22)19-13-8-6-12(7-9-13)17-20-15-4-2-3-5-16(15)21-17/h2-9,11,14H,10H2,1H3,(H,19,22)(H,20,21)/t11-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 40820911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).