N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide

C18H20N4O — CID 71657109

IUPACN-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2[nH]c(N[C@@H](C)c3cccc(C)c3)nc12
InChIInChI=1S/C18H20N4O/c1-11-6-4-7-14(10-11)12(2)19-18-21-16-9-5-8-15(17(16)22-18)20-13(3)23/h4-10,12H,1-3H3,(H,20,23)(H2,19,21,22)/t12-/m0/s1
InChIKeyNEFUPQSDNIZDCU-LBPRGKRZSA-N
MW308.39 g/mol
LogP4.00
Rot. Bonds4

About N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide

N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide (PubChem CID 71657109) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide
PubChem CID71657109
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2[nH]c(N[C@@H](C)c3cccc(C)c3)nc12
InChIInChI=1S/C18H20N4O/c1-11-6-4-7-14(10-11)12(2)19-18-21-16-9-5-8-15(17(16)22-18)20-13(3)23/h4-10,12H,1-3H3,(H,20,23)(H2,19,21,22)/t12-/m0/s1
InChIKeyNEFUPQSDNIZDCU-LBPRGKRZSA-N
XLogP4.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide?
The IUPAC name of N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide (CID 71657109) is N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide?
The canonical SMILES for N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide is CC(=O)Nc1cccc2[nH]c(N[C@@H](C)c3cccc(C)c3)nc12.
What is the InChIKey of N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide?
The InChIKey is NEFUPQSDNIZDCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11-6-4-7-14(10-11)12(2)19-18-21-16-9-5-8-15(17(16)22-18)20-13(3)23/h4-10,12H,1-3H3,(H,20,23)(H2,19,21,22)/t12-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide?
N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide is sourced from PubChem (CID 71657109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).